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Discover methods to efficiently locate reflection data in PLATON using linear search or address arrays, optimizing memory and time usage. Learn how to enhance crystallography research with these techniques.
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Programming the Science ofCrystallography PLATON, a Multipurpose Crystallographic Tool A.L.Spek, Utrecht University
How to find the data belonging to a given reflection hkl in a linear list of reflection data Reflection data assumed in array REFL(I,J) • Option #1: linear search Memory efficient but time inefficient • Option #2: with the help of a 3-dimensional address array Addresses array requires worst case dimensioning Array element ADDR(H,K,L) contains the address I for the data in REFL(I,J) • Option #3: with the help of a linear address array No worst case dimensioning needed